NPASS Natural Product

Natural Product: NPC33507

Natural Product ID:	NPC33507
Common Name:	n.a.
IUPAC Name:
Synonyms:	O-Demethylaspidospermine
Molecular Formula:	C21H28N2O2
Standard InCHIKey:	XLNXVRNSNBJROM-CWJKEVGVSA-N
Standard InCHI:	InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25)18(15)23(14(2)24)17(21)8-10-20/h4,6-7,17,19,25H,3,5,8-13H2,1-2H3/t17-,19-,20-,21-/m1/s1
Canonical SMILES:	CC[C@@]12CCCN3[C@H]2[C@]2([C@@H](CC1)N(c1c2cccc1O)C(=O)C)CC3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO32721	geissospermum reticulatum	Species	Apocynaceae	Eukaryota				PMID[22551062]

Biological Activity

Activity Type	# Activity
GI50	3

Activity Type	# Activity
Cell Line	1
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1021	Organism	Leishmania infantum	Leishmania infantum	GI50	=	7.7	ug/ml	15646539
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	GI50	=	41.7	ug/ml	10.1039/C0MD00247J
NPT1161	Cell Line	CHO	Cricetulus griseus	GI50	=	16.7	ug/ml	24704617

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC33507 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	234
0.1-0.2	1195
0.2-0.3	5685
0.3-0.4	7166
0.4-0.5	11528
0.5-0.6	4039
0.6-0.7	976
0.7-0.8	58
0.8-0.85	5
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8772	High Similarity	NPC470483
0.8671	High Similarity	NPC470485
0.8629	High Similarity	NPC161804
0.8098	Intermediate Similarity	NPC470484
0.8066	Intermediate Similarity	NPC132874
0.8066	Intermediate Similarity	NPC218733
0.8066	Intermediate Similarity	NPC138615
0.8066	Intermediate Similarity	NPC265642
0.7892	Intermediate Similarity	NPC1464
0.7727	Intermediate Similarity	NPC166169
0.768	Intermediate Similarity	NPC5630
0.7598	Intermediate Similarity	NPC302235
0.7553	Intermediate Similarity	NPC469732
0.75	Intermediate Similarity	NPC127178
0.75	Intermediate Similarity	NPC138830
0.7487	Intermediate Similarity	NPC195787
0.7487	Intermediate Similarity	NPC246140
0.7446	Intermediate Similarity	NPC203628
0.7427	Intermediate Similarity	NPC471122
0.7389	Intermediate Similarity	NPC116096
0.7368	Intermediate Similarity	NPC469428
0.7356	Intermediate Similarity	NPC471124
0.7341	Intermediate Similarity	NPC472117
0.7333	Intermediate Similarity	NPC39822
0.7316	Intermediate Similarity	NPC67904
0.7287	Intermediate Similarity	NPC303214
0.7256	Intermediate Similarity	NPC22082
0.7256	Intermediate Similarity	NPC186284
0.7246	Intermediate Similarity	NPC264589
0.7214	Intermediate Similarity	NPC222046
0.7214	Intermediate Similarity	NPC288110
0.7206	Intermediate Similarity	NPC477394
0.7172	Intermediate Similarity	NPC470481
0.7172	Intermediate Similarity	NPC470482
0.7151	Intermediate Similarity	NPC477185
0.7143	Intermediate Similarity	NPC315498
0.7143	Intermediate Similarity	NPC472120
0.7143	Intermediate Similarity	NPC472101
0.7143	Intermediate Similarity	NPC230942
0.7136	Intermediate Similarity	NPC471513
0.7127	Intermediate Similarity	NPC477187
0.7126	Intermediate Similarity	NPC36495
0.7112	Intermediate Similarity	NPC22689
0.7112	Intermediate Similarity	NPC105055
0.7107	Intermediate Similarity	NPC8305
0.7107	Intermediate Similarity	NPC268763
0.7107	Intermediate Similarity	NPC66177
0.7098	Intermediate Similarity	NPC232600
0.7097	Intermediate Similarity	NPC21425
0.7086	Intermediate Similarity	NPC472102
0.7086	Intermediate Similarity	NPC309531
0.7062	Intermediate Similarity	NPC70172
0.7062	Intermediate Similarity	NPC472106
0.7056	Intermediate Similarity	NPC214626
0.7056	Intermediate Similarity	NPC139085
0.7056	Intermediate Similarity	NPC251212
0.7044	Intermediate Similarity	NPC475609
0.7031	Intermediate Similarity	NPC100863
0.703	Intermediate Similarity	NPC126556
0.701	Intermediate Similarity	NPC10653
0.701	Intermediate Similarity	NPC318525
0.7	Intermediate Similarity	NPC85482
0.7	Intermediate Similarity	NPC212799
0.7	Intermediate Similarity	NPC78284
0.7	Intermediate Similarity	NPC127996
0.7	Intermediate Similarity	NPC159815
0.6989	Remote Similarity	NPC225319
0.6985	Remote Similarity	NPC269449
0.6984	Remote Similarity	NPC22476
0.6982	Remote Similarity	NPC125852
0.698	Remote Similarity	NPC234772
0.6977	Remote Similarity	NPC154602
0.6977	Remote Similarity	NPC475763
0.6971	Remote Similarity	NPC113946
0.6971	Remote Similarity	NPC473458
0.6961	Remote Similarity	NPC473743
0.6961	Remote Similarity	NPC471294
0.6957	Remote Similarity	NPC124802
0.6949	Remote Similarity	NPC85651
0.6947	Remote Similarity	NPC204970
0.6941	Remote Similarity	NPC146370
0.6927	Remote Similarity	NPC472114
0.6927	Remote Similarity	NPC170333
0.6927	Remote Similarity	NPC472115
0.6923	Remote Similarity	NPC470548
0.6915	Remote Similarity	NPC119722
0.6914	Remote Similarity	NPC259665
0.6914	Remote Similarity	NPC89769
0.6914	Remote Similarity	NPC126859
0.6898	Remote Similarity	NPC477395
0.6888	Remote Similarity	NPC470678
0.6885	Remote Similarity	NPC225857
0.6878	Remote Similarity	NPC217294
0.6875	Remote Similarity	NPC61013
0.6859	Remote Similarity	NPC473004
0.6854	Remote Similarity	NPC191863
0.6854	Remote Similarity	NPC133470
0.6854	Remote Similarity	NPC289776
0.6842	Remote Similarity	NPC474904
0.6842	Remote Similarity	NPC473569
0.6836	Remote Similarity	NPC301163
0.6834	Remote Similarity	NPC478075
0.6833	Remote Similarity	NPC214960
0.6833	Remote Similarity	NPC279527
0.6829	Remote Similarity	NPC77777
0.6828	Remote Similarity	NPC270301
0.6825	Remote Similarity	NPC477397
0.6818	Remote Similarity	NPC87714
0.6818	Remote Similarity	NPC133156
0.6813	Remote Similarity	NPC171372
0.6811	Remote Similarity	NPC94174
0.681	Remote Similarity	NPC470480
0.6798	Remote Similarity	NPC248117
0.6798	Remote Similarity	NPC68650
0.6796	Remote Similarity	NPC219397
0.6791	Remote Similarity	NPC98197
0.6789	Remote Similarity	NPC477186
0.6788	Remote Similarity	NPC221687
0.6786	Remote Similarity	NPC476989
0.6786	Remote Similarity	NPC315051
0.6786	Remote Similarity	NPC130251
0.6774	Remote Similarity	NPC478032
0.6772	Remote Similarity	NPC476250
0.6772	Remote Similarity	NPC262725
0.6772	Remote Similarity	NPC33902
0.6772	Remote Similarity	NPC276674
0.676	Remote Similarity	NPC99632
0.676	Remote Similarity	NPC282339
0.6758	Remote Similarity	NPC469915
0.6757	Remote Similarity	NPC260075
0.6754	Remote Similarity	NPC174629
0.6744	Remote Similarity	NPC291173
0.6743	Remote Similarity	NPC285381
0.6742	Remote Similarity	NPC193410
0.6734	Remote Similarity	NPC475147
0.6732	Remote Similarity	NPC469928
0.6724	Remote Similarity	NPC144691
0.6724	Remote Similarity	NPC318086
0.6723	Remote Similarity	NPC29285
0.6722	Remote Similarity	NPC204867
0.6722	Remote Similarity	NPC313757
0.6721	Remote Similarity	NPC355
0.672	Remote Similarity	NPC473007
0.6719	Remote Similarity	NPC92803
0.6717	Remote Similarity	NPC52801
0.6717	Remote Similarity	NPC471436
0.6714	Remote Similarity	NPC19175
0.6714	Remote Similarity	NPC476451
0.6703	Remote Similarity	NPC129624
0.6702	Remote Similarity	NPC256288
0.6702	Remote Similarity	NPC314659
0.6701	Remote Similarity	NPC243626
0.6686	Remote Similarity	NPC150712
0.6686	Remote Similarity	NPC170170
0.6686	Remote Similarity	NPC243162
0.6686	Remote Similarity	NPC211468
0.6686	Remote Similarity	NPC219233
0.6686	Remote Similarity	NPC202198
0.6686	Remote Similarity	NPC204156
0.6685	Remote Similarity	NPC123241
0.6685	Remote Similarity	NPC24954
0.6683	Remote Similarity	NPC189661
0.6682	Remote Similarity	NPC301501
0.6667	Remote Similarity	NPC2933
0.6667	Remote Similarity	NPC97100
0.6667	Remote Similarity	NPC293458
0.6667	Remote Similarity	NPC257390
0.6667	Remote Similarity	NPC473375
0.6667	Remote Similarity	NPC473298
0.6667	Remote Similarity	NPC223242
0.6651	Remote Similarity	NPC469450
0.6651	Remote Similarity	NPC128476
0.6649	Remote Similarity	NPC197335
0.6648	Remote Similarity	NPC147091
0.6647	Remote Similarity	NPC185838
0.6647	Remote Similarity	NPC323123
0.6634	Remote Similarity	NPC477111
0.6633	Remote Similarity	NPC316282
0.6632	Remote Similarity	NPC259626
0.6631	Remote Similarity	NPC99043
0.6631	Remote Similarity	NPC218594
0.6627	Remote Similarity	NPC149379
0.6615	Remote Similarity	NPC18890
0.6615	Remote Similarity	NPC230313
0.6615	Remote Similarity	NPC320088
0.6614	Remote Similarity	NPC159963
0.6613	Remote Similarity	NPC203202
0.6613	Remote Similarity	NPC264482
0.6612	Remote Similarity	NPC167724
0.6612	Remote Similarity	NPC223595
0.6612	Remote Similarity	NPC224970
0.6606	Remote Similarity	NPC477393
0.6605	Remote Similarity	NPC139373
0.6601	Remote Similarity	NPC475133
0.6601	Remote Similarity	NPC477160
0.66	Remote Similarity	NPC475774
0.6599	Remote Similarity	NPC17677
0.6597	Remote Similarity	NPC473615
0.6596	Remote Similarity	NPC287588
0.6595	Remote Similarity	NPC473880

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC33507 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	168
0.1-0.2	572
0.2-0.3	849
0.3-0.4	1006
0.4-0.5	2791
0.5-0.6	3222
0.6-0.7	537
0.7-0.8	16
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7514	Intermediate Similarity	NPD5600	Discontinued
0.7455	Intermediate Similarity	NPD3141	Discontinued
0.7273	Intermediate Similarity	NPD3984	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD3983	Phase 3
0.7207	Intermediate Similarity	NPD7449	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD7149	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD4796	Discontinued
0.7143	Intermediate Similarity	NPD1742	Approved
0.7143	Intermediate Similarity	NPD19	Approved
0.7143	Intermediate Similarity	NPD1743	Approved
0.7107	Intermediate Similarity	NPD3637	Approved
0.7107	Intermediate Similarity	NPD3635	Approved
0.7107	Intermediate Similarity	NPD3636	Approved
0.7095	Intermediate Similarity	NPD3975	Discontinued
0.7066	Intermediate Similarity	NPD4430	Phase 2
0.7055	Intermediate Similarity	NPD2791	Discontinued
0.6995	Remote Similarity	NPD5900	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3594	Approved
0.6957	Remote Similarity	NPD2605	Approved
0.6957	Remote Similarity	NPD3595	Approved
0.6957	Remote Similarity	NPD2606	Approved
0.6941	Remote Similarity	NPD6884	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5521	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD5582	Discontinued
0.6927	Remote Similarity	NPD5823	Approved
0.6918	Remote Similarity	NPD6320	Approved
0.6914	Remote Similarity	NPD5155	Approved
0.6914	Remote Similarity	NPD5156	Approved
0.6901	Remote Similarity	NPD2420	Approved
0.6901	Remote Similarity	NPD2421	Approved
0.6885	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD6636	Phase 3
0.6845	Remote Similarity	NPD4726	Approved
0.6845	Remote Similarity	NPD4725	Approved
0.6845	Remote Similarity	NPD4721	Approved
0.6836	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6811	Remote Similarity	NPD7479	Phase 2
0.6805	Remote Similarity	NPD4256	Phase 2
0.6805	Remote Similarity	NPD4257	Approved
0.6791	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.678	Remote Similarity	NPD1769	Discontinued
0.6757	Remote Similarity	NPD3793	Phase 3
0.6744	Remote Similarity	NPD2422	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD6283	Phase 2
0.673	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.673	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD1753	Discontinued
0.6723	Remote Similarity	NPD4201	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD7071	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD6376	Discontinued
0.6705	Remote Similarity	NPD4121	Phase 3
0.6705	Remote Similarity	NPD4120	Approved
0.6687	Remote Similarity	NPD6346	Approved
0.6686	Remote Similarity	NPD3391	Approved
0.6685	Remote Similarity	NPD3784	Discontinued
0.6667	Remote Similarity	NPD5186	Approved
0.6667	Remote Similarity	NPD5183	Approved
0.6667	Remote Similarity	NPD6159	Phase 2
0.6667	Remote Similarity	NPD5741	Approved
0.6667	Remote Similarity	NPD5847	Phase 1
0.6667	Remote Similarity	NPD5743	Approved
0.6667	Remote Similarity	NPD5742	Approved
0.6649	Remote Similarity	NPD5938	Phase 3
0.6649	Remote Similarity	NPD2383	Phase 1
0.6648	Remote Similarity	NPD6037	Discontinued
0.6645	Remote Similarity	NPD1791	Approved
0.6645	Remote Similarity	NPD1793	Approved
0.663	Remote Similarity	NPD6533	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD5754	Discontinued
0.6628	Remote Similarity	NPD5819	Phase 2
0.6612	Remote Similarity	NPD6457	Approved
0.6612	Remote Similarity	NPD7126	Discontinued
0.661	Remote Similarity	NPD5639	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD7603	Discontinued
0.6596	Remote Similarity	NPD6878	Phase 2
0.6596	Remote Similarity	NPD6879	Phase 2
0.6595	Remote Similarity	NPD5078	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD3277	Phase 3
0.6584	Remote Similarity	NPD3623	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD3622	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD4596	Phase 1
0.6582	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD5860	Discontinued
0.6566	Remote Similarity	NPD2177	Approved
0.6566	Remote Similarity	NPD2176	Approved
0.6566	Remote Similarity	NPD2175	Phase 3
0.6564	Remote Similarity	NPD4103	Phase 2
0.6564	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD4515	Suspended
0.6552	Remote Similarity	NPD3845	Phase 1
0.6552	Remote Similarity	NPD2916	Discontinued
0.6545	Remote Similarity	NPD6557	Phase 2
0.6543	Remote Similarity	NPD1755	Approved
0.6543	Remote Similarity	NPD4659	Approved
0.6541	Remote Similarity	NPD4093	Discontinued
0.6541	Remote Similarity	NPD5680	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD3940	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD5936	Approved
0.6537	Remote Similarity	NPD5939	Approved
0.6536	Remote Similarity	NPD2789	Approved
0.6528	Remote Similarity	NPD8025	Phase 2
0.6528	Remote Similarity	NPD6965	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD3398	Discontinued
0.6522	Remote Similarity	NPD6379	Discontinued
0.6519	Remote Similarity	NPD313	Approved
0.6519	Remote Similarity	NPD5599	Discontinued
0.6517	Remote Similarity	NPD6357	Discontinued
0.6513	Remote Similarity	NPD5937	Approved
0.6508	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6505	Remote Similarity	NPD4492	Approved
0.6505	Remote Similarity	NPD4494	Approved
0.6502	Remote Similarity	NPD7222	Phase 2
0.6502	Remote Similarity	NPD7263	Phase 2
0.65	Remote Similarity	NPD6321	Discontinued
0.65	Remote Similarity	NPD7735	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD7630	Phase 3
0.6495	Remote Similarity	NPD7628	Phase 3
0.6495	Remote Similarity	NPD7629	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD4456	Clinical (unspecified phase)
0.648	Remote Similarity	NPD5610	Approved
0.6478	Remote Similarity	NPD5303	Approved
0.6478	Remote Similarity	NPD5304	Approved
0.6474	Remote Similarity	NPD5181	Approved
0.6474	Remote Similarity	NPD5180	Approved
0.6474	Remote Similarity	NPD5179	Approved
0.6473	Remote Similarity	NPD4455	Discontinued
0.6471	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD7324	Discontinued
0.6471	Remote Similarity	NPD4082	Approved
0.6467	Remote Similarity	NPD6767	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD2162	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD6737	Phase 2
0.6464	Remote Similarity	NPD6738	Phase 2
0.6461	Remote Similarity	NPD814	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD4493	Discontinued
0.6445	Remote Similarity	NPD3783	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD2468	Approved
0.6444	Remote Similarity	NPD2469	Approved
0.6443	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD1405	Approved
0.6436	Remote Similarity	NPD4498	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7820	Phase 3
0.6429	Remote Similarity	NPD7293	Approved
0.6429	Remote Similarity	NPD1792	Phase 2
0.6425	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD6340	Approved
0.6425	Remote Similarity	NPD6339	Approved
0.6425	Remote Similarity	NPD3888	Discontinued
0.6425	Remote Similarity	NPD8016	Phase 3
0.6424	Remote Similarity	NPD2194	Approved
0.6424	Remote Similarity	NPD2195	Approved
0.6421	Remote Similarity	NPD5445	Approved
0.6418	Remote Similarity	NPD6238	Discontinued
0.6418	Remote Similarity	NPD3416	Discontinued
0.6417	Remote Similarity	NPD2898	Approved
0.6408	Remote Similarity	NPD3893	Discontinued
0.6406	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD7821	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD6020	Phase 2
0.64	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD4166	Phase 2
0.6398	Remote Similarity	NPD1293	Approved
0.6398	Remote Similarity	NPD1751	Approved
0.6392	Remote Similarity	NPD4951	Discontinued
0.639	Remote Similarity	NPD4022	Approved
0.639	Remote Similarity	NPD3472	Approved
0.639	Remote Similarity	NPD2907	Approved
0.639	Remote Similarity	NPD2906	Approved
0.6386	Remote Similarity	NPD6795	Clinical (unspecified phase)
0.6382	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD4127	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD3638	Discontinued
0.6379	Remote Similarity	NPD2820	Phase 3
0.6378	Remote Similarity	NPD2327	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD7718	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD2229	Approved
0.6369	Remote Similarity	NPD2228	Approved
0.6369	Remote Similarity	NPD2234	Approved
0.6368	Remote Similarity	NPD5190	Phase 2
0.6368	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD7695	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD4897	Phase 2
0.6364	Remote Similarity	NPD3278	Clinical (unspecified phase)
0.6359	Remote Similarity	NPD6199	Discontinued
0.6359	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD2688	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD7118	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.635	Remote Similarity	NPD5197	Approved
0.635	Remote Similarity	NPD5194	Approved
0.635	Remote Similarity	NPD5196	Approved
0.6347	Remote Similarity	NPD4207	Discontinued

Structure

NPC33507 OpenBabel07101718182D 25 29 0 0 1 0 0 0 0 0999 V2000 -2.5370 1.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 3.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3922 1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 -0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 3.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 2.1033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1725 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.9999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8435 1.5128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9705 1.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6284 2.4341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 4.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 12 22 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 1 0 0 0 17 23 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 3 1 1 0 0 0 21 11 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	22216321
ChEMBL	CHEMBL2047336
ZINC

Physicochemical Properties

Molecular Weight:	340.22
ALogP:	-1.7779
MLogP:	3.33
XLogP:	3.187
# Rotatable Bonds:	5
Polar Surface Area:	43.78
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	25

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